8415-16676 Screening compound: 2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

8415-16676 Screening compound: 2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid
8415-16676 Screening compound: 2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8415-16676
2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8415-16676

Molecular Formula

C9H7N3O3S (C9 H7 N3 O3 S)

Compound Name

2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

IUPAC name

2-{[5-(pyridin-4-yl)-134-oxadiazol-2-yl]sulfanyl}acetic acid

SMILES

OC(CSc1nnc(-c2ccncc2)o1)=O

InChI

InChI=1S/C9H7N3O3S/c13-7(14)5-16-9-12-11-8(15-9)6-1-3-10-4-2-6/h1-4H,5H2,(H,13,14)

InChI Key

KSSVWDCJAMBHLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02741516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.080

Distribution Coefficient, logD

-3.372

Water Solubility, LogSw

-1.21

Polar Surface Area

68.148

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8415-16676 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8415-16676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8415-16676?
Check Price and Availability of 8415-16676, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8415-16676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8415-16676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8415-16676
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8415-16676 available by request